8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-5,5-ジメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール

5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-

HCID 213543CAS 26685-53-0

基本情報

標準SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1
InChIKey
BEJUUNOSKFATNL-UHFFFAOYSA-N
分子式
C23H35NO2
平均分子量
357.5 g/mol
単同位体質量
357.26677936

名称と識別子

優先名称
5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-
IUPAC
5,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
現地名
8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-5,5-ジメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール
英語名
8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
分子式
C23H35NO2
分子量
357.53

名称と別名

BRN 122517726685-53-05H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-RefChem:3051195,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-olSCHEMBL9028216DTXSID40949500BEJUUNOSKFATNL-UHFFFAOYSA-N10-hydroxy-5,5-dimethyl-8-(1,2,-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5 H-[1] benzopyrano [4,3-c] pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1] benzopyrano[4,3-c]pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine
名称をさらに表示
8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-5,5-ジメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール5,5-ジメチル-8-(3-メチルオクタン-2-イル)-1H,2H,3H,4H,5H-クロメノ[4,3-c]ピリジン-10-オール5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol(WXG01032)
5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridine5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1] benzopyrano[3,4-d]pyridine5,5-Dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol

データベース識別子

CAS
26685-53-0
PubChem CID
213543
DTXSID
DTXSID40949500
Nikkaji
J41.994J

物性

構造計算による物性

XLogP
5.1
極性表面積
41.5 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
6
重原子数
26

物理化学的性質

沸点
490.5 · 490.5±45.0 °C(Predicted)
比重(密度)
1.06 · 1.06±0.1 g/cm3(Predicted)
酸解離定数(Pka)
9.84 · 9.84±0.40(Predicted)

化学と産業

サプライヤー3 社

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]

関連反応

26 件

関連ノート

読み込み中…